SCHEMBL557339

SCHEMBL557339

CCCCCCC(CCC)c1[c]cccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.38
CSNK1E P49674 1/20 0.36
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KCNH2 Q12809 1/20 0.33
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
ADH7 P40394 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
CNR2 P34972 1/20 0.32
NQO1 P15559 1/20 0.31
KDM4E B2RXH2 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL983291 1.00 NR1I2 (0.38) NR1I2CSNK1ECYSLTR2CYSLTR1PRSS1
SCHEMBL198761 1.00 NR1I2 (0.38) NR1I2CSNK1ECYSLTR2CYSLTR1PRSS1
SCHEMBL3218621 1.00 NR1I2 (0.38) NR1I2CSNK1ECYSLTR2CYSLTR1PRSS1
SCHEMBL982466 1.00 NR1I2 (0.38) NR1I2CSNK1ECYSLTR2CYSLTR1PRSS1
SCHEMBL557642 0.98 NR1I2 (0.36) NR1I2CSNK1ECYSLTR2CYSLTR1PRSS1
SCHEMBL980204 0.97 NR1I2 (0.40) NR1I2CSNK1ECYSLTR2CYSLTR1PRSS1
SCHEMBL983413 0.97 NR1I2 (0.40) NR1I2CSNK1ECYSLTR2CYSLTR1PRSS1
SCHEMBL983560 0.97 NR1I2 (0.40) NR1I2CSNK1ECYSLTR2CYSLTR1PRSS1
SCHEMBL982651 0.97 NR1I2 (0.40) NR1I2CSNK1ECYSLTR2CYSLTR1PRSS1
SCHEMBL982647 0.97 NR1I2 (0.40) NR1I2CSNK1ECYSLTR2CYSLTR1PRSS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 183 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103391942-B Novel heterocyclic compound, method for producing intermediate thereof, and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2015-11-25 CN claimed
EP-1812005-A2 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-08-01 EP claimed
WO-2006053024-A2 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-05-18 WO claimed
WO-2023080258-A1 CARBONYL COMPOUND, METHOD FOR PRODUCING CARBONYL COMPOUND, METHOD FOR PRODUCING ISOCYANATE COMPOUND, AND ISOCYANATE COMPOSITION 旭化成株式会社 2023-05-11 WO disclosed
WO-2023080257-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUNDS, METHOD FOR PRODUCING CARBAMATE COMPOUNDS, METHOD FOR RECOVERING AMINE COMPOUNDS, AND ISOCYANATE COMPOSITION 旭化成株式会社 2023-05-11 WO disclosed
CN-109314235-A Method for producing negative electrode active material for lithium ion secondary battery 捷恩智株式会社 2019-02-05 CN disclosed
EP-2275406-B1 PROCESS FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2018-11-28 EP disclosed
EP-2506966-B1 CATALYST AND METHOD FOR PRODUCING AN AMINE BASF SE (DE) 2017-08-16 EP disclosed
EP-2506965-B1 CATALYST AND METHOD FOR PRODUCING AN AMINE BASF SE (DE) 2016-11-09 EP disclosed
EP-2225029-B1 METHOD AND CATALYST FOR PRODUCING AN AMINE BASF SE (DE) 2016-08-03 EP disclosed
US-9233918-B2 Isocyanate production process ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-01-12 US disclosed
CN-1031464-C Fuel compositions EXXON CHEMICAL PATENTS INC (US) 1996-04-03 CN disclosed
EP-0696572-A1 Process for the preparation of amines BASF AKTIENGESELLSCHAFT (DE) 1996-02-14 EP disclosed
CN-1116201-A Hydrazone compound and insecticide contining said compound as active ingredient SUMITOMO CHEMICAL CO (JP) 1996-02-07 CN disclosed
US-5364419-A Amine or diamine sulfosuccinate salt EXXON CHEMICAL PATENTS INC. (US) 1994-11-15 US disclosed
CN-1025747-C Fuel oil additive EXXON CHEMICAL PATENTS INC (US) 1994-08-24 CN disclosed
EP-0316108-B1 FUEL OIL ADDITIVES EXXON CHEMICAL PATENTS INC (US) 1992-02-05 EP disclosed
CN-1043157-A Fuel composition EXXON CHEMICAL PATENTS INC (US) 1990-06-20 CN disclosed
CN-1034951-A Fuel oil additive EXXON CHEMICAL PATENTS INC (US) 1989-08-23 CN disclosed
EP-0316108-A1 Fuel oil additives EXXON CHEMICAL PATENTS INC. (US) 1989-05-17 EP disclosed